Export of Tanimoto similarity to structure_candidates.tsv

[JethroHemmann]

Hi,

I was wondering if there is a way to access the Tanimoto similarity score (xx%), which is shown below the structures in SIRIUS, after exporting the project/summaries?

In the structure_candidates.tsv I could not find the information.

[mfleisch]

The tanimoto similarity is currently not part of the summary tables but it is part of the fingerprint results in the project directory (project-space). You can find them under <PROJECT>/<COMPOUND_DIR>/fingerid/<FOMRULA_CANDIDATE.tsv>.
The fingerid file is just a zip Archive that can be unpacked to access the files inside.

[JethroHemmann]

Thanks, that´s good to know!